0 mol 11 unq 0 iso 0 dist 5.96346 6.84216 6.76736 11.0597 10.0282 6.83186 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 4.30695 6.58046 8.84131 10.7048 14.2498 6.83186 numMergedOcc 0
2 mol 11 unq 2 iso 0 dist 6.35398 6.58046 6.51674 10.7048 9.81983 6.83186 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 8.70827 8.23075 12.2271 13.5399 19.1942 8.25818 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 6.73939 8.23075 12.2839 13.5399 14.8722 8.25818 numMergedOcc 0
5 mol 72 unq 0 iso 0 dist 9.27838 4.86198 13.6186 4.7874 12.1747 6.79423 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 7.54568 8.04242 13.5973 8.37717 15.3758 4.18248 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 6.65501 7.92856 11.6496 13.6536 16.876 6.5816 numMergedOcc 0
8 mol 109 unq 0 iso 0 dist 7.02927 8.11702 11.1265 4.56372 5.54226 9.29327 numMergedOcc 0
9 mol 109 unq 1 iso 0 dist 6.60933 8.11702 6.57741 4.56372 10.3411 9.29327 numMergedOcc 0
10 mol 113 unq 0 iso 0 dist 8.8822 7.02367 5.40648 13.0914 9.34113 7.02358 numMergedOcc 0
11 mol 113 unq 1 iso 0 dist 8.8822 9.30832 15.5674 10.2689 16.2322 9.14336 numMergedOcc 0
12 mol 113 unq 2 iso 0 dist 9.66219 7.02367 3.52111 13.0914 5.35711 7.02358 numMergedOcc 0
13 mol 113 unq 3 iso 0 dist 9.66219 9.30832 13.7232 10.2689 15.4368 9.14336 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 6.97707 4.76974 8.16155 3.98154 9.24302 5.86379 numMergedOcc 0
15 mol 115 unq 1 iso 0 dist 6.97707 4.76974 8.16155 6.61688 10.7582 6.21029 numMergedOcc 0
16 mol 115 unq 2 iso 0 dist 6.97707 8.0336 11.4853 3.98154 9.24302 8.64686 numMergedOcc 0
17 mol 115 unq 3 iso 0 dist 6.97707 8.0336 11.4853 6.61688 10.7582 8.16325 numMergedOcc 0
18 mol 117 unq 0 iso 0 dist 7.70232 7.78789 6.05048 4.46691 6.5788 9.02015 numMergedOcc 0
19 mol 117 unq 1 iso 0 dist 7.4671 7.78789 4.42665 4.46691 6.2771 9.02015 numMergedOcc 0
20 mol 122 unq 0 iso 0 dist 8.88537 4.42563 8.90201 6.34716 15.1966 8.565 numMergedOcc 0
21 mol 122 unq 1 iso 0 dist 9.23819 4.42563 11.3935 6.34716 14.9314 8.565 numMergedOcc 0
22 mol 141 unq 0 iso 0 dist 9.87644 9.3273 5.16197 6.80544 9.62774 5.60448 numMergedOcc 0
23 mol 143 unq 0 iso 0 dist 7.78652 8.99891 14.3396 6.75249 13.6073 4.3855 numMergedOcc 0
24 mol 143 unq 1 iso 0 dist 8.91301 8.99891 12.476 6.75249 12.9862 4.3855 numMergedOcc 0
25 mol 194 unq 0 iso 0 dist 8.65535 9.52922 3.7326 12.8006 8.43182 5.10542 numMergedOcc 0
26 mol 198 unq 0 iso 0 dist 6.34616 8.08471 5.92533 4.27652 8.78623 7.38825 numMergedOcc 0
27 mol 206 unq 0 iso 0 dist 6.16414 4.51255 9.36584 4.46135 7.9416 6.80296 numMergedOcc 0
28 mol 206 unq 1 iso 0 dist 7.75885 6.23183 9.36584 3.56132 7.9416 6.80296 numMergedOcc 0
29 mol 206 unq 2 iso 0 dist 7.33701 4.51255 8.97305 4.46135 11.4622 6.80296 numMergedOcc 0
30 mol 206 unq 3 iso 0 dist 8.0871 4.51255 8.90838 4.46135 12.5259 6.80296 numMergedOcc 0
31 mol 213 unq 0 iso 0 dist 7.37798 8.82761 15.5804 4.67313 10.7796 9.71831 numMergedOcc 0
32 mol 213 unq 1 iso 0 dist 7.73322 8.82761 6.78109 4.67313 8.59946 9.71831 numMergedOcc 0
33 mol 213 unq 2 iso 0 dist 8.14332 9.09354 13.1121 3.62097 10.4161 7.93317 numMergedOcc 0
34 mol 213 unq 3 iso 0 dist 8.14332 4.66576 6.78109 7.49785 8.59946 9.71831 numMergedOcc 0
35 mol 239 unq 0 iso 0 dist 8.84636 4.43499 5.76503 4.61469 11.637 6.09626 numMergedOcc 0
36 mol 287 unq 0 iso 0 dist 9.65934 5.30118 5.39801 3.65199 9.25759 4.68668 numMergedOcc 0
37 mol 288 unq 0 iso 0 dist 9.65934 5.30118 5.39801 3.65199 9.25759 4.68668 numMergedOcc 0
38 mol 289 unq 0 iso 0 dist 9.65934 5.30118 5.39801 3.65199 9.25759 4.68668 numMergedOcc 0
39 mol 292 unq 0 iso 0 dist 7.07965 4.49592 5.06937 7.22011 5.91617 8.07775 numMergedOcc 0
